SCHEMBL20083992

SCHEMBL20083992

O=C(Nc1ccc(F)c(Br)c1)c1cccc(CCN2CCCC(O)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ROCK2 O75116 2/20 0.43
▸ ACKR3 P25106 3/20 0.41
▸ KDR P35968 2/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ HTR1D P28221 1/20 0.40
▸ HTR1B P28222 1/20 0.40
▸ CCR2 P41597 1/20 0.40
▸ ABCB1 P08183 1/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ STAT3 P40763 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SPHK2 Q9NRA0 1/20 0.38
▸ SPHK1 Q9NYA1 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19157709 0.91 RAB9A (0.49) GAAHTTRAB9AACKR3TP53
SCHEMBL20083976 0.89 ACKR3 (0.49) POLBROCK2ACKR3HTR1AHTR1D
SCHEMBL21844832 0.87 ACKR3 (0.50) POLBRAB9AROCK2ACKR3HTR1A
SCHEMBL19157145 0.87 POLB (0.42) POLBGAAHTTRAB9AROCK2
SCHEMBL20083978 0.86 ACKR3 (0.43) GAAHTTRAB9AROCK2ACKR3
SCHEMBL20083956 0.82 MCHR1 (0.53) KDRLMNATP53
SCHEMBL21844912 0.80 MCHR1 (0.42) ROCK2ACKR3
SCHEMBL19157071 0.79 ROCK2 (0.49) ROCK2ACKR3HTR1ASPHK2SPHK1
SCHEMBL19157226 0.78 HTR1A (0.41) RAB9AACKR3KDRHTR1AHTR1D
SCHEMBL21844836 0.77 ACKR3 (0.51) ACKR3HTR1AHTR1DHTR1BKDM1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3312160-A1 HEPATITIS B ANTIVIRAL AGENTS Novira Therapeutics Inc. (US) 2018-04-25 — — EP disclosed
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